N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-2,1,3-benzothiadiazole-4-sulfonamide

Systemtic Name: N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-2,1,3-benzothiadiazole-4-sulfonamide Openeye Name: N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-2,1,3-benzothiadiazole-4-sulfonamide CAS Name: N-[4-methoxy-3-(4-methyl-1-piperazinyl)phenyl]-2,1,3-benzothiadiazole-4-sulfonamide IUPAC Name: N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-2,1,3-benzothiadiazole-4-sulfonamide Traditional Name: N-[4-methoxy-3-(4-methylpiperazino)phenyl]piazthiole-4-sulfonamide Formula: C18H21N5O3S2 MolecularWeight: 419.52104

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=C(C=CC(=C2)NS(=O)(=O)C3=CC=CC4=NSN=C43)OC

Isomeric SMILES

CN1CCN(CC1)C2=C(C=CC(=C2)NS(=O)(=O)C3=CC=CC4=NSN=C43)OC

InChI

InChI=1S/C18H21N5O3S2/c1-22-8-10-23(11-9-22)15-12-13(6-7-16(15)26-2)21-28(24,25)17-5-3-4-14-18(17)20-27-19-14/h3-7,12,21H,8-11H2,1-2H3